Chem
J-GLOBAL ID:200907080910975483   Nikkaji number:J2.086.805H

(2R,4α)-2α,2′α,2′′α-Tris[3,4-bis(benzyloxy)phenyl]-3β,3′β,3′′β,5,5′,5′′,7,7′,7′′-nonakis(benzyloxy)-8-bromo-3,3′,3′′,4,4′,4′′-hexahydro-4,8′:4′,8′′-ter[2H-1-benzopyran]

(2R,4α)-2α,2′α,2′′α-トリス[3,4-ビス(ベンジルオキシ)フェニル]-3β,3′β,3′′β,5,5′,5′′,7,7′,7′′-ノナキス(ベンジルオキシ)-8-ブロモ-3,3′,3′′,4,4′,4′′-ヘキサヒドロ-4,8′:4′,8′′-テル[2H-1-ベンゾピラン]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C150H127BrO18
Molecular formula furigana: C150-H127-BR-O18
Molecular weight: 2297.552
InChI: InChI=1S/C150H127BrO18/c151-142-134(163-100-115-68-38-12-39-69-115)88-133(162-99-114-66-36-11-37-67-114)139-141(150(166-103-118-74-44-15-45-75-118)145(169-148(139)142)121-78-81-125(154-91-106-50-20-3-21-51-106)129(84-121)158-95-110-58-28-7-29-59-110)138-132(161-98-113-64-34-10-35-65-113)87-131(160-97-112-62-32-9-33-63-112)137-140(149(165-102-117-72-42-14-43-73-117)144(168-147(137)138)120-77-80-124(153-90-105-48-18-2-19-49-105)128(83-120)157-94-109-56-26-6-27-57-109)136-130(159-96-111-60-30-8-31-61-111)86-126(155-92-107-52-22-4-23-53-107)122-85-135(164-101-116-70-40-13-41-71-116)143(167-146(122)136)119-76-79-123(152-89-104-46-16-1-17-47-104)127(82-119)156-93-108-54-24-5-25-55-108/h1-84,86-88,135,140-141,143-145,149-150H,85,89-103H2
InChI key: JKCUHIGTBIUTEW-UHFFFAOYSA-N
SMILES: Brc1c(OCc2ccccc2)cc(OCc2ccccc2)c2C(C(OCc3ccccc3)C(Oc12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1c(OCc2ccccc2)cc(OCc2ccccc2)c2C(C(OCc3ccccc3)C(Oc12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1c(OCc2ccccc2)cc(OCc2ccccc2)c2CC(OCc3ccccc3)C(Oc12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Systematic name  (3):
  • (2R,4α)-2α,2′α,2′′α-トリス[3,4-ビス(ベンジルオキシ)フェニル]-3β,3′β,3′′β,5,5′,5′′,7,7′,7′′-ノナキス(ベンジルオキシ)-8-ブロモ-3,3′,3′′,4,4′,4′′-ヘキサヒドロ-4,8′:4′,8′′-テル[2H-1-ベンゾピラン]
  • 3,5,7-トリス(ベンジルオキシ)-2-[3,4-ビス(ベンジルオキシ)フェニル]-4-[3,5,7-トリス(ベンジルオキシ)-2-[3,4-ビス(ベンジルオキシ)フェニル]-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-8-[3,5,7-トリス(ベンジルオキシ)-2-[3,4-ビス(ベンジルオキシ)フェニル]-8-ブロモ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン
  • 3,5,7-tris(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-4-[3,5,7-tris(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[3,5,7-tris(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-8-bromo-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran
Other name (1):
  • (2R,4α)-2α,2′α,2′′α-Tris[3,4-bis(benzyloxy)phenyl]-3β,3′β,3′′β,5,5′,5′′,7,7′,7′′-nonakis(benzyloxy)-8-bromo-3,3′,3′′,4,4′,4′′-hexahydro-4,8′:4′,8′′-ter[2H-1-benzopyran]
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