Esculentic acid

CAS Registry Number®

103974-74-9
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CAS Name

Esculentic acid

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Esculentic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=103974-74-9 (retrieved 2024-04-29) (CAS RN: 103974-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    270-272 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=JXSVIVRDWWRQRT-SVOQGVCWSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@H](O)[C@H](O)C5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3α,4α)-
  • (2α,3α,4α)-2,3,23-Trihydroxyurs-12-en-28-oic acid
  • Esculentic acid (Diplazium)
  • Esculentic acid
  • 2α,3α,23-Trihydroxyurs-12-en-28-oic acid

Deleted or Replaced CAS Registry Numbers

76964-07-3

CAS INSIGHTSTM
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