(Q105234501)

English

(6aS,6bS,8aS,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,11,14a-heptamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-hydroxy-4,6a,6b,8a,11,11,14a-heptamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

434.282095076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₃

0 references

canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)CC5(C)CCC34C)(C)C)C(=C1O)C

0 references

isomeric SMILES

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC(=O)C(C)(C)C[C@H]4[C@]3(C)CC[C@@]21C

0 references

found in taxon

Elaeodendron croceum

1 reference

stated in

Flavanoids and triterpenoids from Cassine papillosa and the absolute configuration of 11,11-dimethyl-1,3,8,10-tetra-hydroxy-9-methoxypeltogynan

Identifiers

InChI

InChI=1S/C29H38O3/c1-17-18-8-9-21-27(5,19(18)14-20(30)24(17)32)11-13-29(7)22-15-25(2,3)23(31)16-26(22,4)10-12-28(21,29)6/h8-9,14,22,32H,10-13,15-16H2,1-7H3/t22-,26+,27+,28-,29+/m1/s1

0 references

InChIKey

RDWGFOQOZANCPB-OMNZJWBCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RDWGFOQOZANCPB-OMNZJWBCSA-N

(Q105234501)

(6aS,6bS,8aS,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,11,14a-heptamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

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Identifiers

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