Sarmentocymarin
CAS Registry Number®
98633-61-5
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CAS Name
SarmentocymarinMolecular Formula
C30H46O8Molecular Mass
534.68Cite 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 ) (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
