(Q104922566)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picen-4a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₄

0 references

canonical SMILES

O=C(OCC12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1)C

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isomeric SMILES

CC(=O)OC[C@@]12CC[C@@H](C)[C@H](C)[C@@H]1C1=CC[C@H]3[C@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2

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found in taxon

Helichrysum stoechas

1 reference

stated in

The constituents of Helichrysum stoechas

Identifiers

InChI

InChI=1S/C34H54O4/c1-21-12-17-34(20-37-23(3)35)19-18-32(8)25(29(34)22(21)2)10-11-27-31(7)15-14-28(38-24(4)36)30(5,6)26(31)13-16-33(27,32)9/h10,21-22,26-29H,11-20H2,1-9H3/t21-,22+,26-,27+,28-,29-,31-,32-,33-,34+/m1/s1

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InChIKey

BAZMEWBREGUVCK-FCEWBRATSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAZMEWBREGUVCK-FCEWBRATSA-N

(Q104922566)

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

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