(Q104995956)

English

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R,4R,5S)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6,9a,11a-trimethyl-1-(4,5,6-trimethylheptan-2-yl)-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

mass

430.417466348 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R,4R,5R)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R,4S,5R)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₄O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C)CC(C)C(C)C(C)C)C4(C)CCC32)C1C

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isomeric SMILES

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

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found in taxon

Glenodinium halli

1 reference

stated in

Dinoflagellate sterols IV: Isolation and structure of 4 alpha, 23xi, 24xi-trimethylcholestanol from the dinoflagellate Glenodinium hallii

Sarcophyton elegans

1 reference

stated in

7-Dehydrosarcophytin, another Novel Diterpenoid from the Soft Coral Sarcophyton elegans of the Indian Ocean

Cachonina hallii

1 reference

stated in

Dinoflagellate sterols IV: Isolation and structure of 4 alpha, 23xi, 24xi-trimethylcholestanol from the dinoflagellate Glenodinium hallii

Identifiers

InChI

InChI=1S/C30H54O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h18-28,31H,9-17H2,1-8H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1

0 references

InChIKey

FJAPTEJQNSKSOD-XGNHBGCASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FJAPTEJQNSKSOD-XGNHBGCASA-N

(Q104995956)

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R,4R,5S)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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