(Q105115385)

English

(E,6S)-6-[(3S,5S,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-ene-2,6-diol

chemical compound

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instance of

type of chemical entity

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subclass of

6-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-3-ene-2,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₃₀H₅₂O₃

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C(O)(C)CC=CC(O)(C)C)C1(C)C

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isomeric SMILES

CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C

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found in taxon

Ceriops tagal

1 reference

stated in

Dammarane triterpenes from the hypocotyls and fruits of Ceriops tagal

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2,32)15-9-16-30(8,33)21-12-18-28(6)20(21)10-11-23-27(5)17-14-24(31)26(3,4)22(27)13-19-29(23,28)7/h9,15,20-24,31-33H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1

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InChIKey

ILQOLRWKVAXWJC-LXSWPYTBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105115385)

(E,6S)-6-[(3S,5S,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-ene-2,6-diol

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Identifiers

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