Orthosphenic acid

CAS Registry Number®

86632-20-4

CAS Name

Orthosphenic acid

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Orthosphenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86632-20-4 (retrieved 2024-11-22) (CAS RN: 86632-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18?,19-,20-,21+,22+,24+,25+,26+,27+,28-,29-,30+/m0/s1

InChIKey

InChIKey=JPAXVSRGFJVPEU-GGQQGAMYSA-N

SMILES

CC1[C@]23[C@]([C@@]4(C)[C@](CC2)([C@]5(C)[C@@](C)(CC4)[C@]6([C@@](C)(CC5)CC[C@](C(O)=O)(C)C6)[H])[H])(C[C@@H](O)[C@]1(O)OC3)[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC56COC(O)(C(O)CC5C4(C)CCC3(C)C2C1)C6C

Other Names for this Substance

  • 2H-3,4a-(Epoxymethano)picene-11-carboxylic acid, eicosahydro-2,3-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-, (2R,3R,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)-
  • D:A-Friedooleanan-29-oic acid, 3,24-epoxy-2,3-dihydroxy-, (2α,3β,20α)-
  • (2R,3R,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)-Eicosahydro-2,3-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-2H-3,4a-(epoxymethano)picene-11-carboxylic acid
  • 2H-3,4a-(Epoxymethano)picene-11-carboxylic acid, eicosahydro-2,3-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-, [2R-(2α,3β,4β,4aβ,6aα,6bβ,8aβ,11α,12aβ,12bα,14aβ,14bα)]-
  • Orthosphenic acid

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