(Q105277778)

English

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,4R,5R)-4-ethyl-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-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

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subclass of

17-(4-ethyl-5,6-dimethylheptan-2-yl)-4,10,13-trimethyl-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 SMILES

mass

444.433116412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₆O

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC[C@H](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)[C@H](C)C(C)C

0 references

found in taxon

Sarcophyton elegans

1 reference

stated in

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

Sinularia molesta

1 reference

stated in

New Sesquiterpenoids from the Soft CoralSinulariaintactaof the Indian Ocean

Identifiers

InChI

InChI=1S/C31H56O/c1-9-23(21(5)19(2)3)18-20(4)25-12-13-27-24-10-11-26-22(6)29(32)15-17-31(26,8)28(24)14-16-30(25,27)7/h19-29,32H,9-18H2,1-8H3/t20-,21-,22+,23-,24+,25-,26+,27+,28+,29+,30-,31+/m1/s1

0 references

InChIKey

URHBYGBZWFDQEG-YLHAHVRCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

URHBYGBZWFDQEG-YLHAHVRCSA-N

(Q105277778)

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

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