(Q104989975)

English

(3R,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5-Ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one

1 reference

based on heuristic

inferred from SMILES

mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₂

0 references

canonical SMILES

O=C1CC2(C)C(C3=CCC4CC(O)CCC4(C)C13)CCC2C(C)CCC(CC)C(C)C

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(C)C

0 references

found in taxon

Gomphostemma microdon

1 reference

stated in

Two New Clerodane-type Diterpenoids from Gomphostemma microdon

Identifiers

InChI

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)24-12-13-25-23-11-10-21-16-22(30)14-15-28(21,5)27(23)26(31)17-29(24,25)6/h11,18-22,24-25,27,30H,7-10,12-17H2,1-6H3/t19-,20-,21+,22-,24-,25+,27-,28+,29-/m1/s1

0 references

InChIKey

DVFKSLYSRPTFTD-MWHABNEJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVFKSLYSRPTFTD-MWHABNEJSA-N

(Q104989975)

(3R,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one

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Identifiers

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