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AG003O6L

Name: Betulinic acid
Brand: Angene Chemical
SKU: AG003O6L

472-15-1 | Betulinic acid

Chemical structure of Betulinic acid, CAS 472-15-1

AG003O6L

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CAS Number	472-15-1
Catalog Number	AG003O6L(AGN-PC-0RV191)
Chemical Name	Betulinic acid
EC Number	207-448-8
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
InChI	InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChI Key	QGJZLNKBHJESQX-FZFNOLFKSA-N
MDL Number	MFCD00009619
Molecular Formula	C30H48O3
Molecular Weight	456.7003
NSC Number	677578
SMILES	C(=O)(O)[C@]12[C@@H]([C@@H]3[C@](CC1)(C)[C@@]1(C)[C@H](CC3)[C@]3(C)[C@@H](CC1)C(C)(C)[C@H](CC3)O)[C@@H](CC2)C(=C)C
UNII	4G6A18707N
Synonyms	3-epi-betulinic acid, betulic acid, betulinic acid, betulinic acid, 472-15-1, Betulic acid, Mairin, Lupatic Acid, als-357, NSC 113090, CCRIS 6748, 3-Hydroxylup-20(29)-en-28-oic acid, UNII-4G6A18707N, 3beta-Hydroxy-20(29)-lupaene-28-oic acid, EINECS 207-448-8, NSC677578, NSC 677578, CHEBI:3087, CHEMBL269277, 3beta-Hydroxy-lup-20(29)-en-28-oic acid, MFCD00009619, 4G6A18707N, Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid, SMR000445624, betulinic-acid, Prestwick_95, beta-betulinic acid, AK-72848, (+)-Betulinic acid, Betulinic Acid, 24, PubChem16912, Prestwick0_000417, Prestwick1_000417, Prestwick2_000417, Prestwick3_000417, AC1L22BQ, Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3.beta.)-, SCHEMBL61767, BSPBio_000374, BSPBio_001587, cid_64971, MLS000728510, MLS006011257, SPBio_002313, BIDF1001, BIDF1011, BPBio1_000412, GTPL3945, BDBM23208, AOB5668, QGJZLNKBHJESQX-FZFNOLFKSA-N, ZX-AFC002755, ZX-AFC002764, HMS1569C16, HMS1791P09, HMS1989P09, HMS2096C16, HMS2232K03, HMS3402P09, Betulinic acid, analytical standard, Betulinic acid, >=98% (HPLC), ZINC4097714, 2267AH, s3603, AKOS015920276, Betulinic acid, technical grade, 90%, ACN-035194, API0005116, CCG-208159, CS-1216, DB12480, EBD2184748, LMPR0106140004, NSC-677578, RL03745, RL9-080, SMP2_000205, 3-Hydroxy-20(29)-lupen-28-oic acid, NCGC00163409-02, NCGC00163409-03, AJ-48006, BR-72848, DS-15257, HY-10529, SC-19742, 3\|A-Hydroxylup-20(29)-en-28-oic Acid, 3beta-hydroxylup-20(29)-en-28-oic acid, AX8001981, LS-175037, FT-0082693, N1343, ST24030165, C08619, Lup-20(29)-en-28-oic acid, 3beta-hydroxy-, M-9067, Lup-20(29)-en-28-oic acid, 3beta -hydroxy-, (3\|A)-3-HydroxyLup-20(29)-en-28-oic Acid, 3-Hydroxy-(3beta)-Lup-20(29)-en-28-oic acid, 472B151, SR-01000779609, Q-100500, SR-01000779609-3, BRD-K45401373-001-05-0, BRD-K45401373-001-22-5, Lup-20(29)-en-28-oic acid, 3-hydroxy-, 3 beta, Lup-20(29)-en-28-oic acid, 3beta-hydroxy- (8CI), (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid, (1R,3 aS,5aR,5bR,7aR,9S,11aR,11bR,13 aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid, Betulinicacid, \|A-Betulinic Acid, Dihydrobetulinic acid, 3-epi-betulinic acid, D0R9YR, C30H48O3, Betulinic acid, 98% - 1G 1g, CID64971, NSC113090, C30-H48-O3, A3237, (3-beta)-3-Hydroxylup-20(29)-en-28-oic acid, C002070,

Complexity	861
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	456.36g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	456.711g/mol
Monoisotopic Mass	456.36g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited