(Q105181876)

English

(5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cholestane steroid

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mass

382.323565964 dalton

1 reference

1 reference

C₂₇H₄₂O

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canonical SMILES

O=C1C=CC2(C)C(C1)CCC3C2CCC4(C)C(CCC34)C(C=CCC(C)C)C

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isomeric SMILES

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

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found in taxon

Dendronephthya gigantea

1 reference

stated in

Steroids and sesquiterpenoids from the soft corals Dendronephthya gigantea and Lemnalia cervicorni.

Identifiers

InChI

InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,18-20,22-25H,7,9-12,14,16-17H2,1-5H3/b8-6+/t19-,20+,22-,23+,24-,25-,26+,27+/m0/s1

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InChIKey

NMNGXZAVNGFGJR-FUMLXOLVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NMNGXZAVNGFGJR-FUMLXOLVSA-N

(Q105181876)

(5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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