(Q104994848)

English

[(3S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-hexadecahydro-1H-picen-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

484.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₃

0 references

canonical SMILES

O=CC1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC43C)C2C1C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)[C@H](C=O)CC[C@]4(C)CC[C@]23C)C1(C)C

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found in taxon

Ixeris chinensis

1 reference

stated in

Composite Constituents: Thirty-Nine Triterpenoids Including Two Novel Compounds from Ixeris chinensis.

Identifiers

InChI

InChI=1S/C32H52O3/c1-20-22(19-33)11-14-29(5)17-18-31(7)23(27(20)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h19-20,22-27H,9-18H2,1-8H3/t20-,22+,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1

0 references

InChIKey

FGDWEZONZSARPZ-MJFGSOPHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FGDWEZONZSARPZ-MJFGSOPHSA-N

(Q104994848)

[(3S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-11-formyl-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl] acetate

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Identifiers

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