(Q105007224)

English

2-{[2-(8,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₇H₈₀O₁₈

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Statements

instance of

group of stereoisomers

0 references

subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

932.53446572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₈₀O₁₈

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canonical SMILES

OCC1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)(C)CCC=C(C)C)C2(C)C)C(O)C(O)C1O

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found in taxon

Gynostemma pentaphyllum

1 reference

stated in

Studies on the Constituents of Cucurbitaceae Plants. XII. On the Saponin Constituents of Gynostemma pentaphyllum MAKINO (8)

Identifiers

InChI

InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-42-38(59)35(56)33(54)27(63-42)20-61-40-36(57)31(52)25(51)19-60-40)22-11-14-46(7)30(22)23(49)16-29-44(5)17-24(50)39(43(3,4)28(44)12-15-45(29,46)6)64-41-37(58)34(55)32(53)26(18-48)62-41/h10,22-42,48-59H,9,11-20H2,1-8H3

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InChIKey

GELOPBLVWSJPGZ-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105007224)

2-{[2-(8,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Statements

Identifiers

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