(Q105002568)

English

(2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,3,12-Trihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

522.35565394 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₇

0 references

canonical SMILES

O=C1C2=C(CC(O)C3(C)C(CCC23C)C(CO)CCC(O)C(O)(C)C)C4(C)CC(O)C(O)C(C)(C)C4C1

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isomeric SMILES

CC(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3=O

0 references

found in taxon

Hypholoma fasciculare

1 reference

stated in

Lanostane triterpenoids from the mushroom Naematoloma fasciculare

Identifiers

InChI

InChI=1S/C30H50O7/c1-26(2)21-13-19(32)24-18(28(21,5)14-20(33)25(26)36)12-23(35)30(7)17(10-11-29(24,30)6)16(15-31)8-9-22(34)27(3,4)37/h16-17,20-23,25,31,33-37H,8-15H2,1-7H3/t16-,17+,20+,21-,22+,23-,25-,28+,29-,30-/m0/s1

0 references

InChIKey

FVNOMENBXLRMPE-YZPVWUHISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVNOMENBXLRMPE-YZPVWUHISA-N

ChEBI ID

205108

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H50O7/c1-26(2)21-13-19(32)24-18(28(21,5)14-20(33)25(26)36)12-23(35)30(7)17(10-11-29(24,30)6)16(15-31)8-9-22(34)27(3,4)37/h16-17,20-23,25,31,33-37H,8-15H2,1-7H3/t16-,17+,20+,21-,22+,23-,25-,28+,29-,30-/m0/s1

1 reference

Natural Product Atlas ID

NPA008324

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FVNOMENBXLRMPE-YZPVWUHISA-N

(Q105002568)

(2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

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Identifiers

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