(Q105233873)

English

(1S,4R,5aS,5bR,7aS,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol

1 reference

based on heuristic

inferred from SMILES

mass

426.349780712 dalton

1 reference

1 reference

C₂₉H₄₆O₂

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canonical SMILES

OC1C2=C(C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C1)C(CC2)C(C)C

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isomeric SMILES

CC(C)[C@@H]1CCC2=C1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O

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found in taxon

Koelpinia linearis

1 reference

stated in

Koelpinin-A, B and C--three triterpenoids from Koelpinia linearis

Identifiers

InChI

InChI=1S/C29H46O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,21-24,30-31H,8-9,11-16H2,1-7H3/t18-,21+,22+,23+,24-,27-,28+,29+/m0/s1

0 references

InChIKey

RCQKIAQMJAWKQW-WFWAYVIQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCQKIAQMJAWKQW-WFWAYVIQSA-N

(Q105233873)

(1S,4R,5aS,5bR,7aS,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol

Statements

Identifiers

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