Deacetyltanghinin
CAS Registry Number®
4589-95-1
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CAS Name
DeacetyltanghininMolecular Formula
C30H44O9Molecular Mass
548.66Cite this Page
Deacetyltanghinin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4589-95-1 (retrieved ) (CAS RN: 4589-95-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
217 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H44O9/c1-15-23(32)25(35-4)24(33)26(37-15)38-18-5-8-27(2)17(12-18)13-21-30(39-21)20(27)7-9-28(3)19(6-10-29(28,30)34)16-11-22(31)36-14-16/h11,15,17-21,23-26,32-34H,5-10,12-14H2,1-4H3/t15-,17-,18-,19+,20+,21-,23-,24-,25+,26-,27-,28+,29+,30+/m0/s1
InChIKey
InChIKey=LVGNJQMAMYJAIL-FWMNQDIBSA-N
SMILES
O[C@@]12[C@@]34[C@@](O3)(C[C@]5([C@@](C)([C@]4(CC[C@]1(C)[C@H](CC2)C=6COC(=O)C6)[H])CC[C@H](O[C@H]7[C@@H](O)[C@H](OC)[C@@H](O)[C@H](C)O7)C5)[H])[H]
Canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C45OC5CC6CC(OC7OC(C)C(O)C(OC)C7O)CCC6(C)C4CCC23C
Other Names for this Substance
- Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7,8-epoxy-14-hydroxy-, (3β,5β,7β)-
- Tanghinin, deacetyl-
- (3β,5β,7β)-3-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7,8-epoxy-14-hydroxycard-20(22)-enolide
- Deacetyltanghinin
