Sarmentocymarin

CAS Registry Number®

98633-61-5

CAS Name

Sarmentocymarin

Molecular Formula

C30H46O8

Molecular Mass

534.68

Cite this Page

Sarmentocymarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98633-61-5 (retrieved 2024-11-28) (CAS RN: 98633-61-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,25+,26-,27+,28+,29-,30+/m1/s1

InChIKey

InChIKey=LEORFFVSVUWAEY-VKZDBDJISA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@@H](C)O5)CC4)[H])([C@H](O)C[C@]1(C)[C@H](CC2)C6=CC(=O)OC6)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6)CCC5(C)C4C(O)CC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-11,14-dihydroxy-, (3β,5β,11α)-
  • Sarmentocymarin
  • (3β,5β,11α)-3-[(2,6-Dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide

CAS INSIGHTSTM
Hourglass and a clock