| CAS Number | 2469-34-3 |
| Catalog Number | AG002P1J(AGN-PC-0R0H6R) |
| Chemical Name | 27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2,3-dihydroxy-, (2β,3β,4α,12α)- |
| IUPAC Name | (2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid |
| InChI | InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1 |
| InChI Key | CWHJIJJSDGEHNS-MYLFLSLOSA-N |
| MDL Number | MFCD00466906 |
| Molecular Formula | C30H45ClO6 |
| Molecular Weight | 537.1277 |
| SMILES | O=C([C@@]1(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@@]3([H])C[C@H](CCl)C4=C(CC[C@@]5(C(O)=O)CCC(C)(C)C[C@@]54[H])[C@]3(C)CCC12)O |
| UNII | 06S1QH951L |
| Synonyms | 12-(Chloromethyl)-2b,3b-dihydroxy-27,
senegenin,
tenuigenin,
Tenuigenin,
Senegenin,
Senegin,
2469-34-3,
UNII-06S1QH951L,
06S1QH951L,
27-Norolean-13-ene-23,28-dioicacid, 12-(chloromethyl)-2,3-dihydroxy-, (2b,3b,4a,12a)-,
C30H45ClO6,
3-10-00-02482 (Beilstein Handbook Reference),
SCHEMBL4031105,
Senegenin, >=98% (HPLC),
27-Noro-13-ene-23,28-dioic acid, 12-(chloromethyl)-2-beta,3-beta-dihydroxy-,
MFCD00466906,
ZINC34039734,
X1228,
Q-100320,
C30-H45-Cl-O6,
BRN 2714357,
ACN-035760,
27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2.beta.,3.beta.-dihydroxy-,
27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2,3-dihydroxy-, (2.beta.,3.beta.,4.alpha.,12.alpha.)-,
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