(Q105205302)

English

(4aS,6aR,6bR,8aR,12aR,14aS,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aR,6aR,6bR,8aR,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)CCC43CO)C1(C)C

0 references

isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(CO)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1

0 references

found in taxon

Plumeria obtusa

1 reference

stated in

Chemical constituents of leaves and stem bark of Plumeria obtusa.

Identifiers

InChI

InChI=1S/C30H48O2/c1-25(2)14-15-27(5)16-17-30(19-31)20(21(27)18-25)8-9-23-28(6)12-11-24(32)26(3,4)22(28)10-13-29(23,30)7/h8,21-23,31H,9-19H2,1-7H3/t21-,22+,23-,27+,28-,29+,30-/m0/s1

0 references

InChIKey

PBMYWLGZACPGLN-VEVZBFBKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105205302)

(4aS,6aR,6bR,8aR,12aR,14aS,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

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