(Q105243736)

English

2-[2-[2-(3,6-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-7-hydroxy-6-methylhept-5-en-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₇₂O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

784.497292364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₂O₁₃

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canonical SMILES

OCC(=CCCC(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)(C)C3CCC4(C)C3CCC5C6(C)CCC(O)C(C)(C)C6C(O)CC54C)C

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found in taxon

Actinostemma lobatum

1 reference

stated in

Studies on the constituents of Actinostemma lobatum Maxim. I Structures of actinostemmosides A, B, C and D, dammarane triterpene glycosides isolated from the herb.

Identifiers

InChI

InChI=1S/C42H72O13/c1-21(19-43)10-9-15-42(8,55-37-34(32(50)30(48)26(20-44)53-37)54-36-33(51)31(49)29(47)22(2)52-36)24-13-17-40(6)23(24)11-12-27-39(5)16-14-28(46)38(3,4)35(39)25(45)18-41(27,40)7/h10,22-37,43-51H,9,11-20H2,1-8H3

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InChIKey

RQVBUZWJUKTKKF-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQVBUZWJUKTKKF-UHFFFAOYSA-N

(Q105243736)

2-[2-[2-(3,6-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-7-hydroxy-6-methylhept-5-en-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Statements

Identifiers

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