1H-Naphtho[2,1-a]xanthene-10-carboxylic acid, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-, methyl ester, (4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)-

CAS Registry Number®

178948-67-9
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CAS Name

1H-Naphtho[2,1-a]xanthene-10-carboxylic acid, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-, methyl ester, (4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)-

Molecular Formula

C28H40O5

Molecular Mass

456.61

Cite this Page

1H-Naphtho[2,1-a]xanthene-10-carboxylic acid, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-, methyl ester, (4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178948-67-9 (retrieved 2024-09-20) (CAS RN: 178948-67-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C28H40O5/c1-25(2)11-10-22(30)28(5)20-9-12-27(4)21(26(20,3)15-18(29)23(25)28)14-17-13-16(24(31)32-6)7-8-19(17)33-27/h7-8,13,18,20-23,29-30H,9-12,14-15H2,1-6H3/t18-,20+,21+,22-,23+,26-,27+,28+/s2

InChIKey

InChIKey=NQNQLGPYASRQND-RIQXKQRWNA-N

SMILES

C[C@@]12[C@@]3([C@](C)([C@]4([C@](C)(CC3)OC=5C(C4)=CC(C(OC)=O)=CC5)[H])C[C@@H](O)[C@]1(C(C)(C)CC[C@H]2O)[H])[H]

Canonical SMILES

O=C(OC)C1=CC=C2OC3(C)CCC4C(C)(CC(O)C5C(C)(C)CCC(O)C45C)C3CC2=C1

Other Names for this Substance

  • 1H-Naphtho[2,1-a]xanthene-10-carboxylic acid, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-, methyl ester, (4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)-
  • 16,24-Cyclo-D(17a)-homo-21-nor-17a-oxachola-16,20(22),23-triene-23-carboxylic acid, 1,6-dihydroxy-4,4,8-trimethyl-, methyl ester, (1β,5α,6β)-
  • Tolypodiol