1-Methyl (1R,2R,4aR,4bS,6R,6aR,9R,10aS,12aR)-6a-carboxy-2-(1,2-dihydroxy-1-methylethyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-1-chrysenepropanoate

CAS Registry Number®

1332859-39-8

CAS Name

1-Methyl (1R,2R,4aR,4bS,6R,6aR,9R,10aS,12aR)-6a-carboxy-2-(1,2-dihydroxy-1-methylethyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-1-chrysenepropanoate

Molecular Formula

C31H50O7

Molecular Mass

534.72

Cite this Page

1-Methyl (1R,2R,4aR,4bS,6R,6aR,9R,10aS,12aR)-6a-carboxy-2-(1,2-dihydroxy-1-methylethyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-1-chrysenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1332859-39-8 (retrieved 2024-11-25) (CAS RN: 1332859-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H50O7/c1-26(18-32)13-15-31(25(35)36)16-14-28(3)20(21(31)17-26)7-8-22-27(2,11-10-24(34)38-6)23(30(5,37)19-33)9-12-29(22,28)4/h7,21-23,32-33,37H,8-19H2,1-6H3,(H,35,36)/t21-,22+,23+,26+,27+,28+,29+,30?,31-/m0/s1

InChIKey

InChIKey=SUUYXWGSSHWCRR-RIFYGRPCSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@](CCC(OC)=O)(C)[C@H](C(CO)(C)O)CC4)[H])(C[C@@](CO)(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC3(C(=CCC4C(C)(CCC(=O)OC)C(CCC43C)C(O)(C)CO)C2CC(C)(CO)CC1)C

Other Names for this Substance

  • 1-Chrysenepropanoic acid, 6a-carboxy-2-(1,2-dihydroxy-1-methylethyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-, 1-methyl ester, (1R,2R,4aR,4bS,6R,6aR,9R,10aS,12aR)-
  • 1-Methyl (1R,2R,4aR,4bS,6R,6aR,9R,10aS,12aR)-6a-carboxy-2-(1,2-dihydroxy-1-methylethyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-1-chrysenepropanoate
  • Methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate 28-oic acid

CAS INSIGHTSTM
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